SCHEMBL14130659

SCHEMBL14130659

COc1ccc(C2Oc3cc(OC)c(OC)c(O)c3C(=O)C2OC)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 4/20 0.57
▸ TAS2R31 P59538 1/20 0.50
▸ TUBB4A P04350 3/20 0.48
▸ TUBB P07437 3/20 0.48
▸ TUBA3C P0DPH7 3/20 0.48
▸ TUBA1B P68363 3/20 0.48
▸ TUBA4A P68366 3/20 0.48
▸ TUBB4B P68371 3/20 0.48
▸ TUBB3 Q13509 3/20 0.48
▸ TUBB2A Q13885 3/20 0.48
▸ TUBB8 Q3ZCM7 3/20 0.48
▸ TUBA3E Q6PEY2 3/20 0.48
▸ TUBA1A Q71U36 3/20 0.48
▸ TUBA1C Q9BQE3 3/20 0.48
▸ TUBB6 Q9BUF5 3/20 0.48
▸ TUBB2B Q9BVA1 3/20 0.48
▸ TUBB1 Q9H4B7 3/20 0.48
▸ ACHE P22303 1/20 0.47
▸ ABCB1 P08183 4/20 0.45
▸ TP53 P04637 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
3,4'-O-Dimethylquercetin SCHEMBL25437988 0.84 CYP3A4 (0.60) XDHTP53CYP3A4CYP19A1ALDH1A1
3,4'-O-Dimethylquercetin SCHEMBL25437986 0.84 CYP3A4 (0.60) XDHTP53CYP3A4CYP19A1ALDH1A1
SCHEMBL31162800 0.83 MEN1 (0.56) XDHTAS2R31ABCB1TP53CYP3A4
SCHEMBL26314368 0.83 MEN1 (0.56) XDHTAS2R31ABCB1TP53CYP3A4
SCHEMBL31613485 0.83 XDH (0.47) XDHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31162803 0.83 XDH (0.47) XDHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL26314138 0.79 KDM4E (0.46) XDHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31527950 0.79 KDM4E (0.46) XDHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25434155 0.77 ESR1 (0.50) XDHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25434157 0.77 ESR1 (0.50) XDHTUBB4ATUBBTUBA3CTUBA1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080160083-A1 Delivering effective amounts of Chasteberry Extract, Pyridoxine, and Magnesium in a single dosage unit and a method of treating PMS and related disorders; oral dosage NORTHERN HOLDINGS INC. 2008-07-03 — — US disclosed
US-20080160083-A1 Delivering effective amounts of Chasteberry Extract, Pyridoxine, and Magnesium in a single dosage unit and a method of treating PMS and related disorders; oral dosage NORTHERN HOLDINGS INC. 2008-07-03 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080160083-A1 Delivering effective amounts of Chasteberry Extract, Pyridoxine, and Magnesium in a single dosage unit and a method of treating PMS and related disorders; oral dosage PNPO, PRDX5, PGR XDH 397/4885TAS2R31 744/4885TUBB4A 3561/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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